/dports/games/palomino/palomino/tools/ |
H A D | checks.sh | 26 GREP="grep -H -n" 65 if ( $GREP -i "namespace globals" $SRC_DIR/*.* ); then 71 if ( $GREP -i "iter.* < .*end[(]" $SRC_DIR/*.* ); then 84 if ( $GREP "if.*DEBUG2" $SRC_DIR/*.* ); then 91 if ( $GREP "\(^\|[^/]\)THREAD_CODE.*Atomic" $SRC_DIR/*.* ); then 108 if ( echo $FILE | $GREP -q -v shptr ); then 113 if ( echo $FILE | $GREP -q -v shptr ) && ( $GREP "[^<]shptr<.*>&" $FILES ); then 118 if ( echo $FILE | $GREP -q -v shptr ) && ( $GREP "[^<]RefPtr<.*>&" $FILES ); then 133 if ( $GREP "Cnt\\|CNT\\| cnt" $SRC_DIR/*.* ); then 139 if ( $GREP "[#][ ]*elseif" $SRC_DIR/*.* ); then [all …]
|
/dports/science/berkeleygw/BGW-2.0.0/testsuite/Si-EPM/ |
H A D | Si_cplx_spin.test | 67 match ; Overlap ik 1, bands 1 1 ; GREP(dotproduct.out, "k-point 1:", 6, 4); 1.0 68 match ; Overlap ik 1, bands 3 2 ; GREP(dotproduct.out, "k-point 1:", 6, 21); 0.0 69 match ; Overlap ik 10, bands 4 4 ; GREP(dotproduct.out, "k-point 4:", 6, 35); 1.0 245 match ; Eigenvalue 1 Re ; GREP(offdiag.out, "Sig(Eo)", 2, 2); -13.862077 246 match ; Eigenvalue 1 Im ; GREP(offdiag.out, "Sig(Eo)", 3, 2); 0.000000 247 match ; Eigenvalue 5 Re ; GREP(offdiag.out, "Sig(Eo)", 2, 6); 1.653623 248 match ; Eigenvalue 5 Im ; GREP(offdiag.out, "Sig(Eo)", 3, 6); 0.000000 301 match ; number of symmetries ; GREP(sig2wan.out, "nsym = ", 3, 0) ; 48 357 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 864 378 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 864 [all …]
|
/dports/science/berkeleygw/BGW-2.0.0/testsuite/Graphene/ |
H A D | Graphene.test | 23 #GREP(fname, col, delta_LINEs) 41 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 3); 0.77401652 55 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 3); 0.72968260 84 match ; n4, k1 screened exchange ; GREP(sigma_hp.log, "ik = 1", 5, 4); 9.091556 89 match ; n5, k1 screened exchange ; GREP(sigma_hp.log, "ik = 1", 5, 5); 0.272264 177 match ; Norm of head; GREP(kernel.out, " - Head :", 4); 1.488398530167E+0001 178 match ; Norm of wing; GREP(kernel.out, " - Wing :", 4); 3.333272152164E+0002 179 match ; Norm of body; GREP(kernel.out, " - Body :", 4); 2.703132197877E+0002 180 match ; Norm of x ; GREP(kernel.out, " - X :", 4); 3.800006825439E+0001 192 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 512 [all …]
|
H A D | Graphene_3D.test | 8 #GREP(fname, col, delta_LINEs) 33 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 3); 0.85057942 55 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 3); 0.85315488 91 match ; n4, k1 screened exchange ; GREP(sigma_hp.log, "ik = 1", 5, 4); 7.437837 96 match ; n5, k1 screened exchange ; GREP(sigma_hp.log, "ik = 1", 5, 5); 0.204472 193 match ; Norm of head; GREP(kernel.out, " - Head :", 4); 2.673594079449E+0002 194 match ; Norm of wing; GREP(kernel.out, " - Wing :", 4); 2.559828440422E+0002 195 match ; Norm of body; GREP(kernel.out, " - Body :", 4); 1.632861949837E+0002 196 match ; Norm of x ; GREP(kernel.out, " - X :", 4); 2.769700271007E+0001 219 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 512 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test_cc/ |
H A D | mcdlaodir_h2o2 | 113 GREP="egrep -a" 115 GREP="egrep" 119 CRIT1=`$GREP "Total SCF * energy\: * \-15(0| )\.7547008696" $log | wc -l` 120 CRIT2=`$GREP "Total MP2 * energy\: * \-151\.0268782344" $log | wc -l` 121 CRIT3=`$GREP "Total CCSD * energy\: * \-151\.0371293407" $log | wc -l` 128 CRIT2=`$GREP "B oper\.\: ZANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 1" $log | wc -l` 129 CRIT3=`$GREP "C oper\.\: XDIPLEN \(unrel\.\)\( * (0| )\.27481\)\, symm\. 2" $log | wc -l` 137 CRIT2=`$GREP "B oper\.\: XANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 2" $log | wc -l` 138 CRIT3=`$GREP "C oper\.\: YDIPLEN \(unrel\.\)\( * (0| )\.27481\)\, symm\. 2" $log | wc -l` 146 CRIT2=`$GREP "B oper\.\: ZANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 1" $log | wc -l` [all …]
|
H A D | mcdlao_h2o2 | 112 GREP="egrep -a" 114 GREP="egrep" 118 CRIT1=`$GREP "Total SCF * energy\: * \-15(0| )\.7547008696" $log | wc -l` 119 CRIT2=`$GREP "Total MP2 * energy\: * \-151\.0268782344" $log | wc -l` 120 CRIT3=`$GREP "Total CCSD * energy\: * \-151\.0371293407" $log | wc -l` 127 CRIT2=`$GREP "B oper\.\: ZANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 1" $log | wc -l` 128 CRIT3=`$GREP "C oper\.\: XDIPLEN \(unrel\.\)\( * (0| )\.27481\)\, symm\. 2" $log | wc -l` 136 CRIT2=`$GREP "B oper\.\: XANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 2" $log | wc -l` 137 CRIT3=`$GREP "C oper\.\: YDIPLEN \(unrel\.\)\( * (0| )\.27481\)\, symm\. 2" $log | wc -l` 145 CRIT2=`$GREP "B oper\.\: ZANGMOM \(unrel\.\)\( * (0| )\.00000\)\, symm\. 1" $log | wc -l` [all …]
|
H A D | dipgra_relax | 111 GREP="egrep -a" 113 GREP="egrep" 117 CRIT1=`$GREP "Total SCF energy: * -2.90191526" $log | wc -l` 118 CRIT2=`$GREP "Total MP2 energy: * -2.93053877" $log | wc -l` 119 CRIT3=`$GREP "Total CCSD energy: * -2.93851167" $log | wc -l` 126 CRIT1=`$GREP "<<XDIPLEN ,XDIPLEN >>\( ..000000\) = * 0*\.40999" $log | wc -l` 127 CRIT2=`$GREP "<<YDIPLEN ,YDIPLEN >>\( ..000000\) = * 0*\.40999" $log | wc -l` 128 CRIT3=`$GREP "<<ZDIPLEN ,ZDIPLEN >>\( ..000000\) = * 1\.96505" $log | wc -l` 129 CRIT4=`$GREP "<<XDIPLEN ,1DHAM001>>\( ..000000\) = * 0*\.18593" $log | wc -l` 130 CRIT5=`$GREP "<<XDIPLEN ,1DHAM004>>\( ..000000\) = * 0*\.81406" $log | wc -l` [all …]
|
H A D | HF_631G_2hyp_2 | 113 GREP="egrep -a" 115 GREP="egrep" 119 CRIT1=`$GREP "Total SCF energy: * -99\.9834089624" $log | wc -l` 120 CRIT2=`$GREP "Total MP2 energy: * -100\.1121032100" $log | wc -l` 121 CRIT3=`$GREP "Total CC3 energy: * -100\.1153427965" $log | wc -l` 129 CRIT2=`$GREP "( -|-0)\.1000 * ( |0)\.1000 ( |0)\.70211317" $log | wc -l` 130 CRIT3=`$GREP "( -|-0)\.2000 * ( |0)\.2000 ( |0)\.75875833" $log | wc -l` 138 CRIT2=`$GREP " ( |0)\.0000 * ( |0)\.1000 * ( -|-0)\.1000 * 19\.40099255" $log | wc -l` 139 CRIT3=`$GREP "( -|-0)\.2000 * ( |0)\.1000 * ( |0)\.1000 * 21\.65740486" $log | wc -l` 141 CRIT5=`$GREP " ( |0)\.0000 * ( |0)\.1000 * ( -|-0)\.1000 * 1\.052900731" $log | wc -l` [all …]
|
H A D | dipgra_relax2 | 125 GREP="egrep -a" 127 GREP="egrep" 131 CRIT1=`$GREP "Total SCF energy: * -74.96565699" $log | wc -l` 132 CRIT2=`$GREP "Total MP2 energy: * -75.00556505" $log | wc -l` 133 CRIT3=`$GREP "Total CCSD energy: * -75.02150754" $log | wc -l` 141 CRIT2=`$GREP "<<XDIPLEN ,1DHAM004>>\( ..000000\) = ( |0)\.2743954" $log | wc -l` 142 CRIT3=`$GREP "<<XDIPLEN ,1DHAM007>>\( ..000000\) = ( |0)\.2743954" $log | wc -l` 144 CRIT5=`$GREP "<<YDIPLEN ,1DHAM005>>\( ..000000\) = ( |0)\.0114962" $log | wc -l` 146 CRIT7=`$GREP "<<YDIPLEN ,1DHAM008>>\( ..000000\) = ( |0)\.0114962" $log | wc -l` 147 CRIT8=`$GREP "<<YDIPLEN ,1DHAM009>>\( ..000000\) = ( |0)\.2205986" $log | wc -l` [all …]
|
H A D | mcdlaodir_ch2o | 168 GREP="egrep -a" 170 GREP="egrep" 219 CRIT1=`$GREP "\^1B1 * \| * 1 * \| * (0| )\.3804241" $log | wc -l` 220 CRIT2=`$GREP "\^1B1 * \| * 2 * \| * (0| )\.3931917 " $log | wc -l` 221 CRIT3=`$GREP "\^1B2 * \| * 1 * \| * (0| )\.3422652 " $log | wc -l` 222 CRIT4=`$GREP "\^1A2 * \| * 1 * \| * (0| )\.1445501 " $log | wc -l` 228 CRIT1=`$GREP "AO-direct calculation" $log | wc -l` 258 GREP="egrep -a" 260 GREP="egrep" 309 CRIT1=`$GREP "\^1B1 * \| * 1 * \| * (0| )\.3804241" $log | wc -l` [all …]
|
H A D | alpha2 | 83 GREP="egrep -a" 85 GREP="egrep" 89 CRIT1=`$GREP "Final *HF energy:" $log | $GREP "\-128.53329375" | wc -l` 90 CRIT2=`$GREP "Total MP2 energy: \-128.81997317" $log | wc -l` 91 CRIT3=`$GREP "Total CC2 energy: \-128.82179225" $log | wc -l` 92 CRIT4=`$GREP "Total CCSD energy: \-128.82112404" $log | wc -l` 117 CRIT1=`$GREP "ZDIPLEN ZDIPLEN (\-4| 2) 1314.7134" $log | wc -l` 118 CRIT2=`$GREP " (\-2| 0) 9.5950601" $log | wc -l` 126 CRIT1=`$GREP "ZDIPLEN ZDIPLEN (\-4| 2) 1295.1174" $log | wc -l` 127 CRIT2=`$GREP " (\-2| 0) 8.9895395" $log | wc -l` [all …]
|
H A D | mcdlao_ch2o | 168 GREP="egrep -a" 170 GREP="egrep" 215 CRIT1=`$GREP "\^1B1 * \| * 1 * \| * (0| )\.3804241" $log | wc -l` 216 CRIT2=`$GREP "\^1B1 * \| * 2 * \| * (0| )\.3931917 " $log | wc -l` 217 CRIT3=`$GREP "\^1B2 * \| * 1 * \| * (0| )\.3422652 " $log | wc -l` 218 CRIT4=`$GREP "\^1A2 * \| * 1 * \| * (0| )\.1445501 " $log | wc -l` 247 GREP="egrep -a" 249 GREP="egrep" 294 CRIT1=`$GREP "\^1B1 * \| * 1 * \| * (0| )\.3804241" $log | wc -l` 295 CRIT2=`$GREP "\^1B1 * \| * 2 * \| * (0| )\.3931917 " $log | wc -l` [all …]
|
/dports/science/berkeleygw/BGW-2.0.0/testsuite/Si-Wire-EPM/ |
H A D | Si_wire.test | 9 match ; Number of G-vectors ; GREP(gsphere_output, "ng = ", 3); 670 10 match ; FFT grid (min) ; GREP(gsphere_output, "minimal", 6); 7 11 match ; FFT grid (FFTW) ; GREP(gsphere_output, "factors ", 4, 1); 8 12 match ; Max G-vector index ; GREP(gsphere_output, "max g-vector indices", 8); 3 52 match ; Space group number ; GREP(WFN.out, "Space group", 3, 0); 123 217 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 96 329 match ; Hole z pos ; GREP(xct.000001_s1.a3Dr, "# rh = ", 6, 0); 0.89 330 match ; Spin ; GREP(xct.000001_s1.a3Dr, "# spin = ", 4, 0); 1 335 match ; z grid steps ; GREP(xct.000001.xsf, "BEGIN_DATAGRID_3D", 3, 1); 61 348 match ; Hole z pos ; GREP(xct.000001_s1.a3Dr, "# rh = ", 6, 0); 0.89 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/ |
H A D | cc_rsp_exci | 117 GREP="egrep -a" 119 GREP="egrep" 122 if $GREP -q "not implemented for parallel calculations" $log; then 128 CRIT1=`$GREP "Final * HF energy:" $log | $GREP "\-2.9247056999" | wc -l` 129 CRIT2=`$GREP "Total MP2 energy: \-2.95349954" $log | wc -l` 130 CRIT3=`$GREP "Total CCSD energy: \-2.96120495" $log | wc -l` 150 CRIT1=`$GREP "ZDIPLEN *\-*0*\.0000 * ZDIPLEN *\-*0*\.0000 * \-0*\.41777..." $log | wc -l` 163 CRIT1=`$GREP "Testing EL1 list with 9 elements on it" $log | wc -l` 175 CRIT1=`$GREP "<<XDIPLEN ,XDIPLEN >>\( ( |0)\.000000\) = ( \-|\-0)\.40286062" $log | wc -l` 176 CRIT2=`$GREP "<<YDIPLEN ,YDIPLEN >>\( ( |0)\.000000\) = ( \-|\-0)\.40286062" $log | wc -l` [all …]
|
H A D | choles_cc2_fop | 98 GREP="egrep -a" 100 GREP="egrep" 103 if $GREP -q "not implemented for parallel calculations" $log; then 109 CRIT1=`$GREP "Final * HF energy:" $log | $GREP "\-112.75469112" | wc -l` 110 CRIT2=`$GREP "Coupled cluster MP2" $log | $GREP "\-113.05873920" | wc -l` 118 CRIT2=`$GREP " z " $log | $GREP "( -|-0)\.175911" | wc -l` 134 CRIT1=`$GREP "7\.74658... * ( |0)\.00000000 * ( |0)\.00000" $log | wc -l` 135 CRIT2=`$GREP "( |0)\.00000000 * 7\.74658... * ( |0)\.00000" $log | wc -l` 136 CRIT3=`$GREP "( |0)\.00000000 * ( |0)\.00000000 * 24.94716..." $log | wc -l` 144 CRIT1=`$GREP "Darwin term" $log | $GREP "( |0)\.2604805" | wc -l` [all …]
|
H A D | prop_hf_nacme | 82 GREP="egrep -a" 84 GREP="egrep" 87 if $GREP -q "not implemented for parallel calculations" $log; then 93 CRIT1=`$GREP "H * 2 * 1\.0000 * 7 * 5 * \[4s1p\|2s1p\]" $log | wc -l` 94 CRIT2=`$GREP "total\: * 2 * 2\.0000 * 14 * 10" $log | wc -l` 100 CRIT1=`$GREP "Total number of coordinates\: * 6" $log | wc -l` 116 CRIT1=`$GREP "Final MCSCF energy\: * \-1\.04697084862[0-9]" $log | wc -l` 122 CRIT1=`$GREP "The molecular gradient" $log | wc -l` 123 CRIT2=`$GREP "The molecular Hessian" $log | wc -l` 124 CRIT3=`$GREP "Electronic excitation energies" $log | wc -l` [all …]
|
H A D | prop_dft_nacme | 83 GREP="egrep -a" 85 GREP="egrep" 88 if $GREP -q "not implemented for parallel calculations" $log; then 94 CRIT1=`$GREP "H * 2 * 1\.0000 * 7 * 5 * \[4s1p\|2s1p\]" $log | wc -l` 95 CRIT2=`$GREP "total\: * 2 * 2\.0000 * 14 * 10" $log | wc -l` 101 CRIT1=`$GREP "Total number of coordinates\: * 6" $log | wc -l` 117 CRIT1=`$GREP "Final MCSCF energy\: * \-1\.04697084862[0-9]" $log | wc -l` 123 CRIT1=`$GREP "The molecular gradient" $log | wc -l` 124 CRIT2=`$GREP "The molecular Hessian" $log | wc -l` 125 CRIT3=`$GREP "Electronic excitation energies" $log | wc -l` [all …]
|
H A D | energy_srpbe_nolr | 77 GREP="egrep -i -a" 79 GREP="egrep -i" 83 CRIT1=`$GREP "\[9s4p1d\|3s2p1d\]" $log | wc -l` 89 CRIT1=`$GREP "1 * x * 0*\.0000000000" $log | wc -l` 90 CRIT2=`$GREP "2 * y * 0*\.0000000000" $log | wc -l` 91 CRIT3=`$GREP "3 * z * \-*0*\.125851" $log | wc -l` 92 CRIT4=`$GREP "4 * x * 0*\.0000000000" $log | wc -l` 93 CRIT5=`$GREP "5 * y * 1\.4523500000" $log | wc -l` 94 CRIT6=`$GREP "6 * z * 0*\.998677" $log | wc -l` 95 CRIT7=`$GREP "7 * x * 0*\.0000000000" $log | wc -l` [all …]
|
H A D | cc_geoopt2 | 180 GREP="egrep -a" 182 GREP="egrep" 185 if $GREP -q "not implemented for parallel calculations" $log; then 191 CRIT1=`$GREP "Final * HF energy: * -112\.75415775" $log | wc -l` 193 CRIT3=`$GREP "Total CCSD energy: * -113\.06120700" $log | wc -l` 197 CRIT7=`$GREP "Norm of gradient * : * ( |0)\.023130" $log | wc -l` 198 CRIT8=`$GREP "Norm of step * : * ( |0)\.01308" $log | wc -l` 205 CRIT1=`$GREP "Final * HF energy: *-112\.75326688" $log | wc -l` 206 CRIT3=`$GREP "Total CCSD energy: *-113\.0613128[4-6]" $log | wc -l` 210 CRIT7=`$GREP "Norm of gradient * : * ( |0)\.000067" $log | wc -l` [all …]
|
H A D | cc_prop_file | 94 GREP="egrep -a" 96 GREP="egrep" 99 if $GREP -q "not implemented for parallel calculations" $log; then 108 CRIT1=`$GREP "# 1 1 ENERGY Ground state Energy = * \-112\.49488640" $log | wc -l` 116 CRIT1=`$GREP "# 2 1 * <XDIPLEN > = * \-0*\.00000755" $log | wc -l` 117 CRIT2=`$GREP "# 3 1 * <YDIPLEN > = * 0*\.00376264" $log | wc -l` 118 CRIT3=`$GREP "# 4 1 * <ZDIPLEN > = * \-0*\.44399835" $log | wc -l` 142 CRIT1=`$GREP " # 5 1 Sy\: 1 Sp\: 1 Exc\: 1 E_tot\: * \-112\.344675[89]" $log | wc -l` 143 CRIT2=`$GREP " # 6 1 Exctot Excited state Energy = \-112\.344675[89]" $log | wc -l` 144 CRIT3=`$GREP " # 7 1 Sy: 1 Sp: 1 Exc: 2 E_tot: \-112\.126928." $log | wc -l` [all …]
|
H A D | cc_rsp_twophot | 92 GREP="egrep -a" 94 GREP="egrep" 97 if $GREP -q "not implemented for parallel calculations" $log; then 103 CRIT1=`$GREP "Final * HF energy:" $log | $GREP "\-100.008919(8|9)." | wc -l` 104 CRIT2=`$GREP "Total MP2 * energy: * \-100.193662(5|6)." $log | wc -l` 105 CRIT3=`$GREP "Total CC2 * energy: * \-100.194686(8|9)." $log | wc -l` 106 CRIT4=`$GREP "Total CCSD * energy: * \-100.1977909." $log | wc -l` 152 CRIT1=`$GREP "\^1A. \| 3 \| 1\.455144. \| 39\.596.. \| 319367\.... \| 100\.00"… 158 CRIT1=`$GREP "\^1A. \| 1 \| ( |0)\.396682. \| 10\.7942. \| 87061\.... \| 96\… 159 CRIT2=`$GREP "\^1A. \| 2 \| 1\.090983. \| 29\.6871. \| 239443\.... \| 96\.14"… [all …]
|
H A D | cc3_h2o_resid | 122 GREP="egrep -a" 124 GREP="egrep" 127 if $GREP -q "not implemented for parallel calculations" $log; then 133 CRIT1=`$GREP "Final *HF energy:" $log | $GREP "\-74.9656569916" | wc -l` 134 CRIT2=`$GREP "Total MP2 energy: *\-75.00556505" $log | wc -l` 135 CRIT3=`$GREP "Total CCSD energy: *\-75.02150754" $log | wc -l` 136 CRIT4=`$GREP "Total CC3 energy: *\-75.02157690" $log | wc -l` 157 CRIT1=`$GREP "oscillator strength .length gauge. *: * ( |0)\.024593" $log | wc -l` 166 CRIT1=`$GREP "(-0|-)\.1000 *(0| )\.1000 *(-0|-)\.84323190" $log | wc -l` 168 CRIT3=`$GREP "(-0|-)\.1000 *(0| )\.1000 *1\.7005047" $log | wc -l` [all …]
|
H A D | cc_rsp_gamma2 | 107 GREP="egrep -a" 109 GREP="egrep" 112 if $GREP -q "not implemented for parallel calculations" $log; then 118 CRIT1=`$GREP "Final * HF energy:" $log | $GREP "\--100.008919(8|9)." | wc -l` 119 CRIT2=`$GREP "Total SCF energy: \-100.008919(8|9)." $log | wc -l` 120 CRIT3=`$GREP "Total MP2 energy: \-100.193662(5|6)." $log | wc -l` 121 CRIT4=`$GREP "Total CCSD energy: \-100.1977909." $log | wc -l` 133 CRIT1=`$GREP "0 105\.3291. 105\.3291. 105\.3291. 105\.3291." $log | wc -l` 135 CRIT3=`$GREP "0 26\.65003. 26\.65003. 26\.65003. 26\.65003." $log | wc -l` 137 CRIT5=`$GREP "gamma_0 26\.65003." $log | wc -l` [all …]
|
/dports/science/berkeleygw/BGW-2.0.0/testsuite/BN/ |
H A D | BN.test | 22 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 3); 0.64530225 100 match ; Norm of head; GREP(kernel_csi_1.out, " - Head :", 4); 9.666204123230E+0000 101 match ; Norm of wing; GREP(kernel_csi_1.out, " - Wing :", 4); 5.618698402901E+0001 102 match ; Norm of body; GREP(kernel_csi_1.out, " - Body :", 4); 2.053415300065E+0001 103 match ; Norm of x ; GREP(kernel_csi_1.out, " - X :", 4); 1.446158123639E+0000 114 match ; Norm of head; GREP(kernel_csi_2.out, " - Head :", 4); 7.871980029492E+0000 115 match ; Norm of wing; GREP(kernel_csi_2.out, " - Wing :", 4); 4.340482563580E+0001 116 match ; Norm of body; GREP(kernel_csi_2.out, " - Body :", 4); 3.635724548615E+0001 117 match ; Norm of x ; GREP(kernel_csi_2.out, " - X :", 4); 1.087138022204E+0001 128 match ; Norm of head; GREP(kernel_csi_3.out, " - Head :", 4); 9.685069159499E+0000 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/cc2mm_spc_fop/ |
H A D | cc2mm_spc_fop.check | 5 GREP="egrep -a" 7 GREP="egrep" 10 if $GREP -q "not implemented for parallel calculations" $log; then 23 CRIT1=`$GREP "x * ( |0)\.0770601. * ( |0)\.1958672" $log | wc -l` 24 CRIT2=`$GREP "y * ( |0)\.0115747. * ( |0)\.0294200" $log | wc -l` 25 CRIT3=`$GREP "z * ( |0)\.8008827. * 2\.0356406" $log | wc -l` 31 CRIT1=`$GREP "1 * 1\.5509380. * ( |0)\.0024452. * ( |0)\.1201701." $log | wc -l` 32 CRIT2=`$GREP "2 * ( |0)\.0024452. * -1\.670209(5|6). * ( |0)\.0067644." $log | wc -l` 33 CRIT3=`$GREP "3 * ( |0)\.1201701. * ( |0)\.0067644. * ( |0)\.1192715." $log | wc -l` 39 CRIT1=`$GREP "1 * 7\.2124209. * (\-|\-0)\.0016301. * (\-|\-0)\.0801134" $log | wc -l` [all …]
|